2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid

C11H9N3O3 — CID 82901687

IUPAC2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ncccn2)c(=O)c1
InChIInChI=1S/C11H9N3O3/c15-10-6-8(11(16)17)2-5-14(10)7-9-12-3-1-4-13-9/h1-6H,7H2,(H,16,17)
InChIKeyOJRPGXVIVNTEDU-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.38
Rot. Bonds3

About 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid

2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid (PubChem CID 82901687) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid
PubChem CID82901687
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ncccn2)c(=O)c1
InChIInChI=1S/C11H9N3O3/c15-10-6-8(11(16)17)2-5-14(10)7-9-12-3-1-4-13-9/h1-6H,7H2,(H,16,17)
InChIKeyOJRPGXVIVNTEDU-UHFFFAOYSA-N
XLogP0.38
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid (CID 82901687) is 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid is O=C(O)c1ccn(Cc2ncccn2)c(=O)c1.
What is the InChIKey of 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid?
The InChIKey is OJRPGXVIVNTEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10-6-8(11(16)17)2-5-14(10)7-9-12-3-1-4-13-9/h1-6H,7H2,(H,16,17).
What are the key properties of 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid?
2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 82901687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).